N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide

C25H26FN3O2 — CID 16910281

IUPACN-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C25H26FN3O2/c26-21-10-8-18(9-11-21)16-27-25(31)20-12-14-29(15-13-20)17-24(30)28-23-7-3-5-19-4-1-2-6-22(19)23/h1-11,20H,12-17H2,(H,27,31)(H,28,30)
InChIKeyDMQRZCNLSKBPKZ-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.95
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16910281) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16910281
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C25H26FN3O2/c26-21-10-8-18(9-11-21)16-27-25(31)20-12-14-29(15-13-20)17-24(30)28-23-7-3-5-19-4-1-2-6-22(19)23/h1-11,20H,12-17H2,(H,27,31)(H,28,30)
InChIKeyDMQRZCNLSKBPKZ-UHFFFAOYSA-N
XLogP3.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16910291
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37176954
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438
N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide
CID 55838548
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N-[(4-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 155891033
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910303
1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 60512121
N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905
1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16910314

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide (CID 16910281) is N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1cccc2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is DMQRZCNLSKBPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-21-10-8-18(9-11-21)16-27-25(31)20-12-14-29(15-13-20)17-24(30)28-23-7-3-5-19-4-1-2-6-22(19)23/h1-11,20H,12-17H2,(H,27,31)(H,28,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16910281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).